[gmx-users] g_cluster[output]

Osmany Guirola Cruz osmany.guirola at cigb.edu.cu
Tue May 6 16:33:01 CEST 2003


Hi
  I am doing cluster analysis of my simulation. I use gromos method, and 
analyse the backbone, but i need that the output(clusters.pdb) was the entire 
peptide. First time i did this
  group for least squares fit       4(backbone)
  group for output                      4(backbone)
and i found 4 clusters.
next time i did this 
   group for least squares fit       4(backbone)
  group for output                     1(protein) (this is really that i need)
and i found 15 clusters 
WHY? i just change "group for output"  i think that the result must be the 
same(i don't change the trajectory files) 
What can i do? 






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